NAV

Golvatinib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Golvatinib
DrugBank Accession Number
DB11977
Background

Golvatinib has been investigated for the treatment of Platinum-Resistant Squamous Cell Carcinoma of the Head and Neck.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 633.701
Monoisotopic: 633.287509025
Chemical Formula
C33H37F2N7O4
Synonyms
  • Golvatinib
External IDs
  • E-7050
  • E7050
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Golvatinib Tartrate47S9L68C0N1007601-96-8JYFKDBFPRXMUAM-LREBCSMRSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Diarylethers
Alternative Parents
Anilides / Piperidinecarboxamides / N-arylamides / Phenol ethers / Phenoxy compounds / Aminopiperidines / N-methylpiperazines / Fluorobenzenes / Pyridines and derivatives / Aryl fluorides
show 12 more
Substituents
1,4-diazinane / 1-piperidinecarboxamide / 4-aminopiperidine / Amine / Amino acid or derivatives / Anilide / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle
show 31 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
516Z3YP58E
CAS number
928037-13-2
InChI Key
UQRCJCNVNUFYDX-UHFFFAOYSA-N
InChI
InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
IUPAC Name
N'1-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILES
CN1CCN(CC1)C1CCN(CC1)C(=O)NC1=CC(OC2=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C(F)=C2)=CC=N1

References

General References
Not Available
PubChem Compound
16118392
PubChem Substance
347828299
ChemSpider
17275597
BindingDB
50100615
ChEMBL
CHEMBL3039525
ZINC
ZINC000043195317
PDBe Ligand
GV0
PDB Entries
5ia5

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1CompletedTreatmentCancer1
1CompletedTreatmentGastric Cancer / Solid Tumors1
1CompletedTreatmentHealthy Subjects (HS)1
1CompletedTreatmentSolid Tumors1
1, 2CompletedTreatmentHepatocellular Carcinoma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0403 mg/mLALOGPS
logP3.19ALOGPS
logP3.56Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)11.38Chemaxon
pKa (Strongest Basic)8.26Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area119.14 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity172.48 m3·mol-1Chemaxon
Polarizability64.23 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0000139000-c6536cc5cf28e3578ba3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0500509000-d03f159a609053d6dd04
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-003r-4610918000-8b93ed351797c8da2137
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-1900606000-f35556b9d09901bb51ce
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-029w-9135716000-bfb6044ba0650ea3e9c0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fau-3821139000-7ee48aed4e87757ee706
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-234.17825
predicted
DeepCCS 1.0 (2019)
[M+H]+236.00316
predicted
DeepCCS 1.0 (2019)
[M+Na]+241.60896
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:07 / Updated at February 21, 2021 18:53